4,7-dimethyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)oct-2-yn-4-olate

Systemtic Name: 4,7-dimethyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)oct-2-yn-4-olate Openeye Name: 4,7-dimethyl-1-[2-(3-pyridyl)piperidin-1-ium-1-yl]oct-2-yn-4-olate CAS Name: 4,7-dimethyl-1-[2-(3-pyridinyl)-1-piperidin-1-iumyl]-2-octyn-4-olate IUPAC Name: 4,7-dimethyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)oct-2-yn-4-olate Traditional Name: 4,7-dimethyl-1-[2-(3-pyridyl)piperidin-1-ium-1-yl]oct-2-yn-4-olate Formula: C20H30N2O MolecularWeight: 314.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)(C#CC[NH+]1CCCCC1C2=CN=CC=C2)[O-]

Isomeric SMILES

CC(C)CCC(C)(C#CC[NH+]1CCCCC1C2=CN=CC=C2)[O-]

InChI

InChI=1S/C20H29N2O/c1-17(2)10-12-20(3,23)11-7-15-22-14-5-4-9-19(22)18-8-6-13-21-16-18/h6,8,13,16-17,19H,4-5,9-10,12,14-15H2,1-3H3/q-1/p+1